4-[(6,7-diethoxy-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)methyl]-N-(3-methylbutyl)benzamide

Systemtic Name: 4-[(6,7-diethoxy-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)methyl]-N-(3-methylbutyl)benzamide Openeye Name: 4-[(6,7-diethoxy-4-oxo-2-thioxo-1H-quinazolin-3-yl)methyl]-N-isopentyl-benzamide CAS Name: 4-[(6,7-diethoxy-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)methyl]-N-(3-methylbutyl)benzamide IUPAC Name: 4-[(6,7-diethoxy-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)methyl]-N-(3-methylbutyl)benzamide Traditional Name: 4-[(6,7-diethoxy-4-keto-2-thioxo-1H-quinazolin-3-yl)methyl]-N-isoamyl-benzamide Formula: C25H31N3O4S MolecularWeight: 469.59634

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)C(=O)N(C(=S)N2)CC3=CC=C(C=C3)C(=O)NCCC(C)C)OCC

Isomeric SMILES

CCOC1=C(C=C2C(=C1)C(=O)N(C(=S)N2)CC3=CC=C(C=C3)C(=O)NCCC(C)C)OCC

InChI

InChI=1S/C25H31N3O4S/c1-5-31-21-13-19-20(14-22(21)32-6-2)27-25(33)28(24(19)30)15-17-7-9-18(10-8-17)23(29)26-12-11-16(3)4/h7-10,13-14,16H,5-6,11-12,15H2,1-4H3,(H,26,29)(H,27,33)